4-ethyl-2,2-dimethylhexane;peroxyformic acid

C11H24O3 — CID 175131115

IUPAC4-ethyl-2,2-dimethylhexane;peroxyformic acid
SMILESCCC(CC)CC(C)(C)C.O=COO
InChIInChI=1S/C10H22.CH2O3/c1-6-9(7-2)8-10(3,4)5;2-1-4-3/h9H,6-8H2,1-5H3;1,3H
InChIKeyQPOYCKREBCRXAI-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.49
Rot. Bonds4

About 4-ethyl-2,2-dimethylhexane;peroxyformic acid

4-ethyl-2,2-dimethylhexane;peroxyformic acid (PubChem CID 175131115) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is 4-ethyl-2,2-dimethylhexane;peroxyformic acid.

Molecular Properties

Compound Name4-ethyl-2,2-dimethylhexane;peroxyformic acid
PubChem CID175131115
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name4-ethyl-2,2-dimethylhexane;peroxyformic acid
SMILESCCC(CC)CC(C)(C)C.O=COO
InChIInChI=1S/C10H22.CH2O3/c1-6-9(7-2)8-10(3,4)5;2-1-4-3/h9H,6-8H2,1-5H3;1,3H
InChIKeyQPOYCKREBCRXAI-UHFFFAOYSA-N
XLogP3.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2,2,6,6-tetramethylheptan-4-yl formate
CID 174760926
2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride
CID 175042752
3-ethyl-5,5-dimethylhexan-1-amine
CID 83682161
2-methoxy-4,4-dimethylpentanal
CID 58639918
2-formyloxy-4,4-dimethylpentanoic acid
CID 167420755
(2R)-2-amino-4,4-dimethylpentanal
CID 90948375
4-ethyl-2,2,9,9-tetramethyldecane
CID 157105314
4-ethyl-2,2-dimethylundecane
CID 57148290
3,5,7,7-tetramethyloctan-4-ol
CID 156689232
CID 162499376
CID 162499376
2,2,6,6-tetramethyl-4-propylheptane
CID 57492954
3,5-diethylheptan-3-ol
CID 82929105

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2-dimethylhexane;peroxyformic acid?
The IUPAC name of 4-ethyl-2,2-dimethylhexane;peroxyformic acid (CID 175131115) is 4-ethyl-2,2-dimethylhexane;peroxyformic acid.
What is the SMILES notation for 4-ethyl-2,2-dimethylhexane;peroxyformic acid?
The canonical SMILES for 4-ethyl-2,2-dimethylhexane;peroxyformic acid is CCC(CC)CC(C)(C)C.O=COO.
What is the InChIKey of 4-ethyl-2,2-dimethylhexane;peroxyformic acid?
The InChIKey is QPOYCKREBCRXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.CH2O3/c1-6-9(7-2)8-10(3,4)5;2-1-4-3/h9H,6-8H2,1-5H3;1,3H.
What are the key properties of 4-ethyl-2,2-dimethylhexane;peroxyformic acid?
4-ethyl-2,2-dimethylhexane;peroxyformic acid has a molecular weight of 204.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2-dimethylhexane;peroxyformic acid is sourced from PubChem (CID 175131115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).